3',5'-O-(Tetraisopropyldisiloxane-1,3-diyl)-2'-deoxy-2'(S)-[2"-phenylthioethyl]-Adenosine

SpectraBase Compound ID	7RgohRt7hzV
InChI	InChI=1S/C30H47N5O4SSi2/c1-19(2)41(20(3)4)36-16-25-27(38-42(39-41,21(5)6)22(7)8)24(14-15-40-23-12-10-9-11-13-23)30(37-25)35-18-34-26-28(31)32-17-33-29(26)35/h9-13,17-22,24-25,27,30H,14-16H2,1-8H3,(H2,31,32,33)/t24-,25+,27-,30+/m0/s1
InChIKey	PHSLKRJDEIZADM-WLZBTTNTSA-N Google Search
Mol Weight	630.0 g/mol
Molecular Formula	C30H47N5O4SSi2
Exact Mass	629.288729 g/mol

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SpectraBase Spectrum ID	25aCXWgQRRX
Name	3',5'-O-(Tetraisopropyldisiloxane-1,3-diyl)-2'-deoxy-2'(S)-[2"-phenylthioethyl]-Adenosine
Alternate Name(s)	9-[(6aR,8R,9S,9aS)-9-[2-(phenylthio)ethyl]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-purinamine 9-[(6aR,8R,9S,9aS)-2,2,4,4-tetraisopropyl-9-(2-phenylsulfanylethyl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine 9-[(6aR,8R,9S,9aS)-9-(2-phenylsulfanylethyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H47N5O4SSi2
InChI	InChI=1S/C30H47N5O4SSi2/c1-19(2)41(20(3)4)36-16-25-27(38-42(39-41,21(5)6)22(7)8)24(14-15-40-23-12-10-9-11-13-23)30(37-25)35-18-34-26-28(31)32-17-33-29(26)35/h9-13,17-22,24-25,27,30H,14-16H2,1-8H3,(H2,31,32,33)/t24-,25+,27-,30+/m0/s1
InChIKey	PHSLKRJDEIZADM-WLZBTTNTSA-N
Molecular Weight	629.967 g/mol
SMILES	Nc1c2c([n]([C@]3([C@]([C@@]4(O[Si](O[Si](OC[C@]4(O3)[H])(C(C)C)C(C)C)(C(C)C)C(C)C)[H])(CCSc3ccccc3)[H])[H])cn2)ncn1
SPLASH	splash10-003i-0000069000-37fc713c94ce0021fc90
Source of Spectrum	E1-34-21-13
Wiley ID	1710330